4IYC
Structure of the T244A mutant of the PANTON-VALENTINE LEUCOCIDIN component from STAPHYLOCOCCUS AUREUS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-10-06 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.87260 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 94.480, 94.480, 310.370 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.700 - 2.750 |
R-factor | 0.1977 |
Rwork | 0.195 |
R-free | 0.24580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t5r |
RMSD bond length | 0.010 |
RMSD bond angle | 1.210 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.700 | 2.800 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.110 | 0.834 |
Number of reflections | 36657 | |
<I/σ(I)> | 15.1 | 2 |
Completeness [%] | 97.3 | 83.4 |
Redundancy | 6.3 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 285 | 40% PEG200, 0.1M NaMES , pH 7.50, VAPOR DIFFUSION, SITTING DROP, temperature 285K |